4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-2-one Formula: C15H19N4O4+ MolecularWeight: 319.33576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)C[NH+]3CCNC(=O)C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)C[NH+]3CCNC(=O)C3)OC

InChI

InChI=1S/C15H18N4O4/c1-21-11-4-3-10(7-12(11)22-2)15-17-14(23-18-15)9-19-6-5-16-13(20)8-19/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,20)/p+1